Benzonitrile, 4-(2-oxo-2-phenylethoxy)-
TL;DR: Benzonitrile, 4-(2-oxo-2-phenylethoxy)- (CAS 62585-00-6) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenacyloxybenzonitrile
Also Known As: 4-phenacyloxybenzonitrile, 4-(Phenacyloxy)benzonitrile, Benzonitrile, 4-(2-oxo-2-phenylethoxy)-, 4-(2-oxo-2-phenylethoxy)benzonitrile, 4-(Phenylcarbonyl)methoxybenzonitrile
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.81998 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 567.6926 |
Chemical Identifiers
| CAS Number | 62585-00-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C#N |
Product Overview
Benzonitrile, 4-(2-oxo-2-phenylethoxy)- (CAS 62585-00-6), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 4-phenacyloxybenzonitrile.
Chemical Property Profile of Benzonitrile, 4-(2-oxo-2-phenylethoxy)-
Property Insights of Benzonitrile, 4-(2-oxo-2-phenylethoxy)-
The XLogP value of 2.81998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(2-oxo-2-phenylethoxy)-. With a topological polar surface area (TPSA) of 50.09 Ų, Benzonitrile, 4-(2-oxo-2-phenylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(2-oxo-2-phenylethoxy)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(2-oxo-2-phenylethoxy)-?
The CAS number of Benzonitrile, 4-(2-oxo-2-phenylethoxy)- is 62585-00-6.
What is the molecular formula of Benzonitrile, 4-(2-oxo-2-phenylethoxy)-?
The molecular formula of Benzonitrile, 4-(2-oxo-2-phenylethoxy)- is C15H11NO2.
What is the molecular weight of Benzonitrile, 4-(2-oxo-2-phenylethoxy)-?
The molecular weight of Benzonitrile, 4-(2-oxo-2-phenylethoxy)- is 237.08 g/mol.
Where can I buy Benzonitrile, 4-(2-oxo-2-phenylethoxy)-?
You can request a quote for Benzonitrile, 4-(2-oxo-2-phenylethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(2-oxo-2-phenylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(2-oxo-2-phenylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.